CID 6333097

Phosphonium, (2,5-dimethyl-p-phenylene)bis(triphenyl-, dibromide

Structural Information

Molecular Formula
C44H38P2
SMILES
CC1=CC(=C(C=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H38P2/c1-35-33-44(46(40-27-15-6-16-28-40,41-29-17-7-18-30-41)42-31-19-8-20-32-42)36(2)34-43(35)45(37-21-9-3-10-22-37,38-23-11-4-12-24-38)39-25-13-5-14-26-39/h3-34H,1-2H3/q+2
InChIKey
SDKJDVQMTMEBMW-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-4-triphenylphosphaniumylphenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.2449 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.25218 259.0
[M+Na]+ 651.23412 282.8
[M+NH4]+ 646.27872 269.5
[M+K]+ 667.20806 269.0
[M-H]- 627.23762 277.4
[M+Na-2H]- 649.21957 278.8
[M]+ 628.24435 269.1
[M]- 628.24545 269.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.